UCSF

ZINC00114117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: Methyl 4-tert-butylbenzoate Methyl 4-tert-butylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26537-19-9 , [26537-19-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 3.49 -5.18 0 2 0 26 192.258 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 122 - 124 (p=9 torr) Acros Organics
Boiling_Point 122-124?/10mm Alfa-Aesar
Boiling_Point 122-124°/10mm Alfa-Aesar
BP 247 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )